(2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol

C20H34O4 — CID 139590431

IUPAC(2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol
SMILESCC[C@H](O)[C@H](O)C/C=C/C=C/C=C/C[C@H](O)/C(C)=C/[C@@H](C)[C@@H](C)O
InChIInChI=1S/C20H34O4/c1-5-18(22)20(24)13-11-9-7-6-8-10-12-19(23)16(3)14-15(2)17(4)21/h6-11,14-15,17-24H,5,12-13H2,1-4H3/b7-6+,10-8+,11-9+,16-14+/t15-,17-,18+,19+,20-/m1/s1
InChIKeyGOELIYKZTRQWFB-XCUVDTPKSA-N
MW338.49 g/mol
LogP2.89
Rot. Bonds11

About (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol

(2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol (PubChem CID 139590431) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol.

Molecular Properties

Compound Name(2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol
PubChem CID139590431
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol
SMILESCC[C@H](O)[C@H](O)C/C=C/C=C/C=C/C[C@H](O)/C(C)=C/[C@@H](C)[C@@H](C)O
InChIInChI=1S/C20H34O4/c1-5-18(22)20(24)13-11-9-7-6-8-10-12-19(23)16(3)14-15(2)17(4)21/h6-11,14-15,17-24H,5,12-13H2,1-4H3/b7-6+,10-8+,11-9+,16-14+/t15-,17-,18+,19+,20-/m1/s1
InChIKeyGOELIYKZTRQWFB-XCUVDTPKSA-N
XLogP2.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol?
The IUPAC name of (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol (CID 139590431) is (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol.
What is the SMILES notation for (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol?
The canonical SMILES for (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol is CC[C@H](O)[C@H](O)C/C=C/C=C/C=C/C[C@H](O)/C(C)=C/[C@@H](C)[C@@H](C)O.
What is the InChIKey of (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol?
The InChIKey is GOELIYKZTRQWFB-XCUVDTPKSA-N. The full InChI is InChI=1S/C20H34O4/c1-5-18(22)20(24)13-11-9-7-6-8-10-12-19(23)16(3)14-15(2)17(4)21/h6-11,14-15,17-24H,5,12-13H2,1-4H3/b7-6+,10-8+,11-9+,16-14+/t15-,17-,18+,19+,20-/m1/s1.
What are the key properties of (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol?
(2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol has a molecular weight of 338.49 g/mol, XLogP of 2.89, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4E,6S,8E,10E,12E,15R,16S)-3,5-dimethyloctadeca-4,8,10,12-tetraene-2,6,15,16-tetrol is sourced from PubChem (CID 139590431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).